SCHEMBL6989278

SCHEMBL6989278

Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
MAPK14 Q16539 2/20 0.40
HSD11B1 P28845 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6987934 0.96 PTGS1 (0.52) PTGS1PTGS2MAPK14BRD4
SCHEMBL6994222 0.81 NISCH (0.45) MAPK14ALDH1A1
SCHEMBL6991232 0.78 BRD4 (0.57) HSD11B1MAPTALDH1A1BRD4
SCHEMBL6998947 0.78 BRD4 (0.54) PTGS1PTGS2HSD11B1ALDH1A1LMNA
SCHEMBL6994229 0.78 TSHR (0.47) MAPTLMNA
SCHEMBL6993952 0.77 HSD11B1 (0.59) HSD11B1BRD4
SCHEMBL7000563 0.74 BRD4 (0.59) MAPTALDH1A1BRD4
SCHEMBL6998482 0.74 CDKN1A (0.44) PTGS1PTGS2BRD4
SCHEMBL6992970 0.73 BRD4 (0.56) HSD11B1ALDH1A1LMNABRD4
SCHEMBL2537130 0.69 MAPK14 (0.45) PTGS1PTGS2MAPK14HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP claimed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US claimed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP claimed
JP-11228538-A None JP disclosed
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
JP-H11228538-A NEW PYPROLE COMPOUND, ITS PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ADIR 1999-08-24 JP disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed